title: Chemistry explained by topology: an alternative approach.
abstract: Molecular topology can be considered an application of graph theory in which the molecular structure is characterized through a set of graph-theoretical descriptors called topological indices. Molecular topology has found applications in many different fields, particularly in biology, chemistry, and pharmacology. The first topological index was introduced by H. Wiener in 1947 [1]. Although its very first application was the prediction of the boiling points of the alkanes, the Wiener index has demonstrated since then a predictive capability far beyond that. Along with the Wiener index, in this paper we focus on a few pioneering topological indices, just to illustrate the connection between physicochemical properties and molecular connectivity.
authors.affiliation: Molecular Connectivity and Drug Design Unit, University of Valencia, Spain. jorge.galvez@uv.es
authors.forename: Jorge
authors.initials: J
authors.lastname: Galvez
authors.forename: Vincent M
authors.initials: VM
authors.lastname: Villar
authors.forename: Maria
authors.initials: M
authors.lastname: Galvez-Llompart
authors.forename: José M
authors.initials: JM
authors.lastname: Amigó
mesh_terms: D000473:Alkanes / Q000737:chemistry; D001696:Biomechanical Phenomena; D002627:Chemistry, Physical / Q000379:methods*; D008956:Models, Chemical; D015394:Molecular Structure; D011789:Quantum Theory; D013329:Structure-Activity Relationship
chemical_list: D000473:Alkanes